CID 131538769

5-(4-bromo-1h-pyrazol-1-yl)pyridine-3-carbonitrile

Structural Information

Molecular Formula
C9H5BrN4
SMILES
C1=C(C=NC=C1N2C=C(C=N2)Br)C#N
InChI
InChI=1S/C9H5BrN4/c10-8-4-13-14(6-8)9-1-7(2-11)3-12-5-9/h1,3-6H
InChIKey
RHRWAQAAFFGVGI-UHFFFAOYSA-N
Compound name
5-(4-bromopyrazol-1-yl)pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.96976 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.97704 138.3
[M+Na]+ 270.95898 153.0
[M-H]- 246.96248 141.2
[M+NH4]+ 266.00358 154.8
[M+K]+ 286.93292 141.0
[M+H-H2O]+ 230.96702 129.0
[M+HCOO]- 292.96796 157.2
[M+CH3COO]- 306.98361 151.5
[M+Na-2H]- 268.94443 145.4
[M]+ 247.96921 150.2
[M]- 247.97031 150.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.